methyl [(2-cyano-3,5-dinitrophenyl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(2-cyano-3,5-dinitrophenyl)sulfanyl]acetate
methyl [(2-cyano-3,5-dinitrophenyl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 8009-7216 |
| Compound Name: | methyl [(2-cyano-3,5-dinitrophenyl)sulfanyl]acetate |
| Molecular Weight: | 297.24 |
| Molecular Formula: | C10 H7 N3 O6 S |
| Smiles: | COC(CSc1cc(cc(c1C#N)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5303 |
| logD: | 1.5303 |
| logSw: | -2.034 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 104.336 |
| InChI Key: | VMCBRTNAZPPDBO-UHFFFAOYSA-N |